Geometry & MOs

Info

ID:	31384
PubChem CID:	855645
Reduced:	ON2H7C9 (2)
Stoich.:	AB2C7D9 (2)
Weight, g/mol:	342.216809
ΔH_f, kcal/mol:	91.97
Dipole, Da:	3.64
IP(EA), eV:	-8.23(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-4-[[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]piperazine

Drug info:

PubChemData

Smile

COC1=CC2=C(NN=C(N=C2C=C1)C3=CC=CO3)C4=CN=CC=C4

DOS

IR

Vibrations